Hi, I think it's unlikely to be “just one” molecule — It’s much more likely an average over multiple states in the crystal (i.e. that site is disordered). Therefore, IMHO, modelling anything more than a couple of waters is highly misleading to anyone interpreting your model afterwards.
If you do try to model it with something, make sure check what the refined B-factor is — if they're much larger than the surroundings, then delete what you added and leave the site unmodelled because you "cannot determine the likely local model based on the quality of the crystallographic data and the local chemical environment”. You don’t need to model every single blob in the crystal — only model the clearly resolved ones, or the ones for which you can construct a “sensible" model. Nick On 18 Jan 2019, at 12:03, Satvik Kumar <kumarsatvi...@gmail.com<mailto:kumarsatvi...@gmail.com>> wrote: Dear Community, I am solving a structure by MR at 2.1 A. I am unable to figure out what to fit in the two electron density blobs that I see. The protein in Tris buffer and DTT was suplemented with sodium pyrophosphate before setting up the trays. The crystals were grown using MIB buffer (Malonic acid, Imidazole and Boric acid) and PEG 1500. The images show the 2Fo-Fc electron density contoured at 1.3 sigma. Can the experts kindly suggest what I can fit in these blobs? Thanks, Satvik ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 <coot_blob1.png><coot_blob2.png> ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
